REMARK  Name = BDB018912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.608   1.603   0.432  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1        5.397   0.836   0.268  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1        5.446  -0.122   0.574  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1        4.185   1.433   0.519  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1        3.090   0.605   0.373  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1        1.791   1.147   0.769  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1        0.662   0.150   0.909  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        0.847  -1.137   1.429  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -0.229  -2.003   1.614  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -1.513  -1.605   1.242  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -1.735  -0.331   0.699  0.00  0.00    -0.017 A 
ATOM     12  O   LIG    1        2.078  -1.576   1.830  0.00  0.00    -0.490 OA
ATOM     13  C   LIG    1        2.950  -1.842   0.721  0.00  0.00    +0.248 C 
ATOM     14  C   LIG    1       -0.641   0.540   0.554  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        3.096  -0.699  -0.290  0.00  0.00    +0.150 C 
ATOM     16  O   LIG    1        4.092   2.612   0.849  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -3.091   0.102   0.331  0.00  0.00    -0.008 A 
ATOM     18  C   LIG    1       -3.721  -0.232  -0.890  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1       -5.041   0.194  -1.171  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1       -5.754   0.867  -0.170  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -5.145   1.212   1.035  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.824   0.843   1.276  0.00  0.00    +0.009 A 
BRANCH  18  23
ATOM     23  C   LIG    1       -3.040  -1.065  -1.904  0.00  0.00    +0.111 C 
ATOM     24  N   LIG    1       -1.804  -0.907  -2.252  0.00  0.00    -0.307 NA
ATOM     25  H   LIG    1       -1.557  -1.593  -2.974  0.00  0.00    +0.186 HD
ENDBRANCH  18  23
BRANCH  19  26
ATOM     26  N   LIG    1       -5.738  -0.187  -2.338  0.00  0.00    -0.357 N 
ATOM     27  H   LIG    1       -5.141  -0.249  -3.159  0.00  0.00    +0.142 HD
ATOM     28  H   LIG    1       -6.549   0.397  -2.527  0.00  0.00    +0.142 HD
ENDBRANCH  19  26
ENDBRANCH  11  17
TORSDOF 3